CID 171118827

1-palmitoleyl glycerone-3-phosphate

Structural Information

Molecular Formula
C19H37O6P
SMILES
CCCCCC/C=C\CCCCCCCCOCC(=O)COP(=O)(O)O
InChI
InChI=1S/C19H37O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-17-19(20)18-25-26(21,22)23/h7-8H,2-6,9-18H2,1H3,(H2,21,22,23)/b8-7-
InChIKey
AJDNTHSQYJKHKV-FPLPWBNLSA-N
Compound name
[3-[(Z)-hexadec-9-enoxy]-2-oxopropyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.2328 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.24008 197.5
[M+Na]+ 415.22202 201.6
[M-H]- 391.22552 189.0
[M+NH4]+ 410.26662 197.2
[M+K]+ 431.19596 195.6
[M+H-H2O]+ 375.23006 194.9
[M+HCOO]- 437.23100 210.8
[M+CH3COO]- 451.24665 217.8
[M+Na-2H]- 413.20747 200.1
[M]+ 392.23225 195.2
[M]- 392.23335 195.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.